Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Hexanoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.70 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.67 |
| ▸ | PPARG | P37231 | 7/20 | 0.67 |
| ▸ | PPARD | Q03181 | 7/20 | 0.67 |
| ▸ | PPARA | Q07869 | 7/20 | 0.67 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.67 |
| ▸ | TSHR | P16473 | 4/20 | 0.67 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.67 |
| ▸ | FABP4 | P15090 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | TLR2 | O60603 | 2/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.67 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | ESR1 | P03372 | 1/20 | 0.67 |
| ▸ | PDE4A | P27815 | 1/20 | 0.67 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hexanoate SCHEMBL5875370 | 0.96 | AKR1B1 (0.76) | AKR1B1GPR84PPARGPPARDPPARA | |
| Palmitic Acid SCHEMBL10533983 | 0.93 | GPR84 (0.77) | AKR1B1GPR84PPARGPPARDPPARA | |
| Heptanoate SCHEMBL5874166 | 0.93 | GPR84 (0.77) | AKR1B1GPR84PPARGPPARDPPARA | |
| Nonanoate SCHEMBL5874969 | 0.93 | GPR84 (0.77) | AKR1B1GPR84PPARGPPARDPPARA | |
| Dodecanoate SCHEMBL8469342 | 0.93 | GPR84 (0.77) | AKR1B1GPR84PPARGPPARDPPARA | |
| Octanoic Acid SCHEMBL5183856 | 0.93 | GPR84 (0.77) | AKR1B1GPR84PPARGPPARDPPARA | |
| Stearic Acid SCHEMBL557515 | 0.93 | GPR84 (0.77) | AKR1B1GPR84PPARGPPARDPPARA | |
| Decanoic Acid SCHEMBL4910739 | 0.93 | GPR84 (0.77) | AKR1B1GPR84PPARGPPARDPPARA | |
| Undecanoate SCHEMBL21145320 | 0.93 | GPR84 (0.77) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexanoate SCHEMBL27885575 | 0.93 | AKR1B1 (0.73) | AKR1B1GPR84PPARGPPARDPPARA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106818745-B | Chemical preparation for improving sweet potato transplanting survival rate and sweet potato seedling quality in saline-alkali soil | 山东省农业科学院作物研究所 | 2020-04-07 | — | — | CN | claimed |
| CN-1308286-C | Method for preparing diethylaminoethanol caproate | UNIV TAIYUAN TECHNOLOGY (CN) | 2007-04-04 | — | — | CN | claimed |
| CN-1757632-A | Method for preparing diethylaminoethanol caproate | UNIV TAIYUAN SCIENCE & ENG (CN) | 2006-04-12 | — | — | CN | claimed |
| CN-111362818-A | Preparation and application of butyric acid-N, N-diethylaminoethyl ester salt serving as plant growth regulator | 河南福联生物科技有限公司 | 2020-07-03 | — | — | CN | disclosed |
| CN-106818745-B | Chemical preparation for improving sweet potato transplanting survival rate and sweet potato seedling quality in saline-alkali soil | 山东省农业科学院作物研究所 | 2020-04-07 | — | — | CN | disclosed |
| CN-1308286-C | Method for preparing diethylaminoethanol caproate | UNIV TAIYUAN TECHNOLOGY (CN) | 2007-04-04 | — | — | CN | disclosed |
| CN-1308286-C | Method for preparing diethylaminoethanol caproate | UNIV TAIYUAN TECHNOLOGY (CN) | 2007-04-04 | — | — | CN | disclosed |
| CN-1757632-A | Method for preparing diethylaminoethanol caproate | UNIV TAIYUAN SCIENCE & ENG (CN) | 2006-04-12 | — | — | CN | disclosed |